5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-

HCID 453244CAS 132686-97-6
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기본 정보

표준 SMILES
CN1C(=O)c2cccnc2N(Cc2ccccc2)c2ccccc21
InChIKey
PGMDQXYPQSTTCJ-UHFFFAOYSA-N
분자식
C20H17N3O
평균 분자량
315.4 g/mol
단동위원소 질량
315.13716217

이름 및 식별자

우선 이름
5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-
IUPAC
11-benzyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one

이름 및 동의어

132686-97-65H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-N11-Benzyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-6-methyl-11-(phenylmethyl)-N11-Benzyl-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL73568SCHEMBL8791147DTXSID00157705PGMDQXYPQSTTCJ-UHFFFAOYSA-N11-benzyl-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-Benzyl-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one6,11-dihydro-11-benzyl-6-methyl-5H-pyrido[2,3-b][1,5]benzodiazapin-5-one

데이터베이스 식별자

CAS
132686-97-6
PubChem CID
453244
DTXSID
DTXSID00157705
ChEMBL
CHEMBL73568
Nikkaji
J420.515D

물성

구조 계산 물성

XLogP
3.5
극성 표면적
36.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
24

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