(1R,5R,6S)-6-[4-(4-Amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triaza-benzo cyclohepten-6-yl)-phenyl]-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic Acid Methyl Ester (HCID 59302525)

기본 정보

표준 SMILES: COC(=O)C1C2C1[C@H]1C[C@@H]2C[C@@H]1c1ccc(N2CCOc3ncnc(N)c3C2=O)cc1
InChIKey: OQFHSRDYFNRXSF-VUNMZBNASA-N
분자식: C23H24N4O4
평균 분자량: 420.5 g/mol

이름 및 식별자

우선 이름: (1R,5R,6S)-6-[4-(4-Amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triaza-benzo cyclohepten-6-yl)-phenyl]-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic Acid Methyl Ester
IUPAC: methyl (1R,5R,6S)-6-[4-(4-amino-5-oxo-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-6-yl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxylate

이름 및 동의어

SCHEMBL1424509OQFHSRDYFNRXSF-VUNMZBNASA-N(1R,5R,6S)-6-[4-(4-Amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triaza-benzo cyclohepten-6-yl)-phenyl]-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic Acid Methyl Ester(1R,5R,6S)-6-[4-(4-Amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triaza-benzocyclohepten-6-yl)-phenyl]-tricyclo[3.2.1.0*2.4*]octane-3-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID: 59302525

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 108 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 31
형식 전하: 0
복잡도: 741

화합물 노트

불러오는 중…

(1R,5R,6S)-6-[4-(4-Amino-5-oxo-7,8-dihydro-5H-9-oxa-1,3,6-triaza-benzo cyclohepten-6-yl)-phenyl]-tricyclo[3.2.1.02,4]octane-3-carboxylic Acid Methyl Ester