기본 정보
- 표준 SMILES
CN1CC2=C(C1=O)c1ccccc1Oc1ccc(Cl)cc12- InChIKey
UEFINICFHHBHJQ-UHFFFAOYSA-N- 분자식
- C17H12ClNO2
- 평균 분자량
- 297.7 g/mol
이름 및 식별자
- 우선 이름
- 5-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
- IUPAC
- 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),7(12),8,10,14,16-heptaen-3-one
이름 및 동의어
934996-79-92,3-Dihydro-1-oxo Asenapine5-chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one5-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),7(12),8,10,14,16-heptaen-3-one2,3-Dihydro-1-oxoasenapineSCHEMBL875920UEFINICFHHBHJQ-UHFFFAOYSA-NCS-B0048AKOS025401861AC-26426CS-13050
이름 더 보기
F9889185-Chloro-2,3-dihydro-2-methyl-1H-dibenz [2,3;6,7]oxepino[4,5-c]pyrrol-1-one5-chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3; 6,7]oxepino[4,5-c]pyrrol-1-one5-Chloro-2,3-dihydro-2-methyl-1H-dibenz[2,3;6,7]oxepino[4,5-c]pyrrol-1-one9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0(2),.0,(1)(2)]octadeca-1(18),2(6),7,9,11,14,16-heptaen-3-one9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0?,?.0?,??]octadeca-1(14),2(6),7(12),8,10,15,17-heptaen-3-one
데이터베이스 식별자
- PubChem CID
- 58729183
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 489
관련 반응
5건
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