기본 정보
- 표준 SMILES
CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(C#N)nc21- InChIKey
VDSWAYVUYIUVIN-UHFFFAOYSA-N- 분자식
- C22H20N6O
- 평균 분자량
- 384.4 g/mol
이름 및 식별자
- 우선 이름
- 2-Ethyl-9-methyl-10-oxo-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile
- IUPAC
- 2-ethyl-9-methyl-10-oxo-13-(2-pyridin-4-ylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carbonitrile
이름 및 동의어
BDBM2095CHEMBL101998SCHEMBL6958186VDSWAYVUYIUVIN-UHFFFAOYSA-N2,8-substituted dipyridodiazepinone 3811-ethyl-5-methyl-6-oxo-8-[2-(4-pyridyl)ethyl]dipyrido[[?],[?]][1,4]diazepine-2-carbonitrile2-Cyano-5,11-dihydro-11-ethyl-8-[2-(4-pyridyl)ethyl]-5-methyl -6H-dipyrido-[3,2-b:2',3'-e][1,4]diazepin-6-one2-ethyl-9-methyl-10-oxo-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile5,11-Dihydro-2-cyano-11-ethyl-5-methyl-8-[2-(pyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
데이터베이스 식별자
- PubChem CID
- 470747
- ChEMBL
CHEMBL101998- Nikkaji
- J992.940A
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 86 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 626
관련 반응
2건
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